HIT ID: HIT212670696
Cas No: 2463200-44-2
分子式: C29H35N9O2S
分子量: 573.72
常用名: EGFR-IN-11
氢键受体数 (HBA): 9
氢键供体数 (HBD): 2
LogP: 3.5839052
IUPAC: 9-[(3R)-1-(cyclopropanesulfonyl)pyrrolidin-3-yl]-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9H-purine-2,8-diamine
IUPAC: 9-[(3R)-1-(cyclopropanesulfonyl)pyrrolidin-3-yl]-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9H-purine-2,8-diamine
SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1
SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1
InChI key: RNEHWYIFHKBZAW-XMMPIXPASA-N
